3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H20N4O — CID 115054570

IUPAC3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CC2CCCNC2)nc2c(C3CC3)c[nH]n12
InChIInChI=1S/C15H20N4O/c20-14-7-12(6-10-2-1-5-16-8-10)18-15-13(11-3-4-11)9-17-19(14)15/h7,9-11,16-17H,1-6,8H2
InChIKeyVZPNKYOYNUJNKG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.44
Rot. Bonds3

About 3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 115054570) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID115054570
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CC2CCCNC2)nc2c(C3CC3)c[nH]n12
InChIInChI=1S/C15H20N4O/c20-14-7-12(6-10-2-1-5-16-8-10)18-15-13(11-3-4-11)9-17-19(14)15/h7,9-11,16-17H,1-6,8H2
InChIKeyVZPNKYOYNUJNKG-UHFFFAOYSA-N
XLogP1.44
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054563
7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054690
5-piperidin-3-yl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054548
3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
CID 83846636
2-[[(3R)-piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridine
CID 95846194
2-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154255
3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 84815306
4-methoxy-2-methyl-6-(piperidin-3-ylmethyl)pyridine
CID 104680585
N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
CID 86336453
2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 115089037
5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115030706
2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053369

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 115054570) is 3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CC2CCCNC2)nc2c(C3CC3)c[nH]n12.
What is the InChIKey of 3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VZPNKYOYNUJNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-14-7-12(6-10-2-1-5-16-8-10)18-15-13(11-3-4-11)9-17-19(14)15/h7,9-11,16-17H,1-6,8H2.
What are the key properties of 3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 272.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(piperidin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115054570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).